SCHEMBL16226323

SCHEMBL16226323

C[C@H](CCC(O)C(O)CO)C1CCC2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 9/20 0.77
▸ CYP8B1 Q9UNU6 1/20 0.74
▸ NR1H4 Q96RI1 5/20 0.71
▸ CYP3A4 P08684 3/20 0.71
▸ PDE3A Q14432 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.69
▸ TDP1 Q9NUW8 1/20 0.69
▸ KMT2A Q03164 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ SLCO1B3 Q9NPD5 1/20 0.68
▸ SLCO1B1 Q9Y6L6 1/20 0.68
▸ USP2 O75604 1/20 0.68
▸ LMNA P02545 1/20 0.66
▸ ABCB11 O95342 1/20 0.64

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16226456 1.00 GPBAR1 (0.77) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL16226920 1.00 GPBAR1 (0.77) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL16226236 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL2550233 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL9696816 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL16226693 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL13151646 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL9696820 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL5346761 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A
SCHEMBL16226534 0.93 GPBAR1 (0.75) GPBAR1CYP8B1NR1H4CYP3A4PDE3A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 GPBAR1 77/4885CYP8B1 557/4885NR1H4 131/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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